N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide

C12H11BrCl2N4O — CID 61036183

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc(Br)cn1
InChIInChI=1S/C12H11BrCl2N4O/c1-6(19-5-7(13)4-17-19)12(20)18-11-9(14)2-8(16)3-10(11)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyFBDBIDUWDKMZFK-UHFFFAOYSA-N
MW378.06 g/mol
LogP3.73
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide

N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide (PubChem CID 61036183) has the molecular formula C12H11BrCl2N4O and a molecular weight of 378.06 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
PubChem CID61036183
Molecular FormulaC12H11BrCl2N4O
Molecular Weight378.06 g/mol
Exact Mass375.95
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc(Br)cn1
InChIInChI=1S/C12H11BrCl2N4O/c1-6(19-5-7(13)4-17-19)12(20)18-11-9(14)2-8(16)3-10(11)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyFBDBIDUWDKMZFK-UHFFFAOYSA-N
XLogP3.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-(4-chloropyrazol-1-yl)propanamide
CID 61036168
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-carbamoylpropanamide
CID 61029814
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19411981
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913
N-(4-amino-2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 43080000
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
2-(4-bromopyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19537655
2-(4-bromopyrazol-1-yl)-N-cyclooctylpropanamide
CID 154834581
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 43079943
2-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 45153796

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide (CID 61036183) is N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide is CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)n1cc(Br)cn1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide?
The InChIKey is FBDBIDUWDKMZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N4O/c1-6(19-5-7(13)4-17-19)12(20)18-11-9(14)2-8(16)3-10(11)15/h2-6H,16H2,1H3,(H,18,20).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide?
N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide has a molecular weight of 378.06 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(4-bromopyrazol-1-yl)propanamide is sourced from PubChem (CID 61036183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).